UCSF

ZINC39298687

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.80 6.66 -18.78 2 9 0 125 386.426 9
Mid Mid (pH 6-8) 0.80 6.98 -61.56 3 9 1 127 387.434 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )